Information card for entry 2205135

Structure parameters

• Chemical name: (±)-(1SR,8RS,10RS)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene
• Formula: C11 H9 Br3
• Calculated formula: C11 H9 Br3
• SMILES: BrC1(Br)[C@H]2c3c(cccc3)[C@H](C2)[C@H]1Br.BrC1(Br)[C@@H]2c3c(cccc3)[C@@H](C2)[C@@H]1Br
• Title of publication: (±)-(1<i>SR</i>,8<i>RS</i>,10<i>RS</i>)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene
• Authors of publication: Ersanlı, Cem Cüneyt; Çoruh, Ufuk; Tuncer, Hökelek; Vázquez-López, Ezequiel M.; Arif, Daştan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o263 - o265
• a: 7.4853 ± 0.0017 Å
• b: 13.449 ± 0.003 Å
• c: 22.653 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2280.5 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes